N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine

C16H21NO — CID 106887777

IUPACN-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1cccc(CC)c1
InChIInChI=1S/C16H21NO/c1-3-9-17-12-16-15(8-10-18-16)14-7-5-6-13(4-2)11-14/h5-8,10-11,17H,3-4,9,12H2,1-2H3
InChIKeyRWPQESCOURMPPI-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.01
Rot. Bonds6

About N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine

N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 106887777) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine
PubChem CID106887777
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1cccc(CC)c1
InChIInChI=1S/C16H21NO/c1-3-9-17-12-16-15(8-10-18-16)14-7-5-6-13(4-2)11-14/h5-8,10-11,17H,3-4,9,12H2,1-2H3
InChIKeyRWPQESCOURMPPI-UHFFFAOYSA-N
XLogP4.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine
CID 106887819
N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106888999
N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine
CID 106887380
N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888027
1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 70624980
N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887023
N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887808
N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine
CID 106887175
N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine
CID 106887400
N-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine
CID 106888721
N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424448
N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine
CID 106886915

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine (CID 106887777) is N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1-c1cccc(CC)c1.
What is the InChIKey of N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is RWPQESCOURMPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-9-17-12-16-15(8-10-18-16)14-7-5-6-13(4-2)11-14/h5-8,10-11,17H,3-4,9,12H2,1-2H3.
What are the key properties of N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106887777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).